source: tests/regression/Parser/Psi3/pre@ 41de6e

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
../
empty.psi 0 bytes ​ 752bb4   14 years FrederikHeber Added regression test Parser/Psi3. - this is heavily inspired from …
test.xyz 65 bytes ​ 752bb4   14 years FrederikHeber Added regression test Parser/Psi3. - this is heavily inspired from …
testrhf.psi 205 bytes ​ 752bb4   14 years FrederikHeber Added regression test Parser/Psi3. - this is heavily inspired from …
testrohf.psi 206 bytes ​ 752bb4   14 years FrederikHeber Added regression test Parser/Psi3. - this is heavily inspired from …
testtwocon.psi 323 bytes ​ 7ace68   13 years FrederikHeber Added multiplicity guesser for Psi3Parser's UHF. - TESTFIX: changed …
testuhf.psi 226 bytes ​ 7ace68   13 years FrederikHeber Added multiplicity guesser for Psi3Parser's UHF. - TESTFIX: changed …
water.psi 271 bytes ​ c0e28c   13 years FrederikHeber FIX: One could not load another pdb file due to local ids messing up. …
  • Property mode set to 040000
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